General Information of the Compound
| Compound ID |
CP0502811
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| Compound Name |
N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C26H30F2N2O
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| Molecular Weight |
424.535
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| Canonical SMILES |
Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H30F2N2O/c27-24-11-7-22(8-12-24)26(23-9-13-25(28)14-10-23)31-20-19-30-17-4-16-29-18-15-21-5-2-1-3-6-21/h1-3,5-14,26,29-30H,4,15-20H2
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| InChIKey |
AFTYGKFAHDIZJA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter